N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

C23H27F3N6O3S — CID 154504824

IUPACN-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(CN(C)S(=O)(=O)C(F)F)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2)n1
InChIInChI=1S/C23H27F3N6O3S/c1-5-14-8-13(11-31(3)36(34,35)23(25)26)9-16(24)20(14)32(4)18-10-17-19(27-12-30(17)2)21(28-18)29-22(33)15-6-7-15/h8-10,12,15,23H,5-7,11H2,1-4H3,(H,28,29,33)
InChIKeyCGKRKAFUEFMNFR-UHFFFAOYSA-N
MW524.57 g/mol
LogP3.77
Rot. Bonds9

About N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 154504824) has the molecular formula C23H27F3N6O3S and a molecular weight of 524.57 g/mol. Its IUPAC name is N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID154504824
Molecular FormulaC23H27F3N6O3S
Molecular Weight524.57 g/mol
Exact Mass524.18
IUPAC NameN-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(CN(C)S(=O)(=O)C(F)F)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2)n1
InChIInChI=1S/C23H27F3N6O3S/c1-5-14-8-13(11-31(3)36(34,35)23(25)26)9-16(24)20(14)32(4)18-10-17-19(27-12-30(17)2)21(28-18)29-22(33)15-6-7-15/h8-10,12,15,23H,5-7,11H2,1-4H3,(H,28,29,33)
InChIKeyCGKRKAFUEFMNFR-UHFFFAOYSA-N
XLogP3.77
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyano-N-[6-(4-cyano-2-ethyl-6-fluoro-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
CID 126494698
N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 126494685
N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 145234589
N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 126485116
cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494518
4-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-methylamino]-N-(cyanomethyl)-3-ethyl-5-fluorobenzamide
CID 126485188
N-[4-(dimethylamino)-6-[[4-ethyl-6-[[methyl(methylsulfanyl)amino]methyl]-3-pyridinyl]-methylamino]-3-(methylideneamino)-2-pyridinyl]cyclopropanecarboxamide
CID 145234577
cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494871
N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide
CID 161369378
N-[6-[(2,6-difluoro-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123394929
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (CID 154504824) is N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is CCc1cc(CN(C)S(=O)(=O)C(F)F)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2)n1.
What is the InChIKey of N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is CGKRKAFUEFMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O3S/c1-5-14-8-13(11-31(3)36(34,35)23(25)26)9-16(24)20(14)32(4)18-10-17-19(27-12-30(17)2)21(28-18)29-22(33)15-6-7-15/h8-10,12,15,23H,5-7,11H2,1-4H3,(H,28,29,33).
What are the key properties of N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 524.57 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154504824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).